Intro Simulation Molecular Sys 2ed ebook Field,Martin J. Diesel eBooks

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Home > Science & Nature > Chemistry > Intro Simulation Molecular Sys 2ed-eBook

Intro Simulation Molecular Sys 2ed

Field,Martin J.

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Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through /9780521852524.

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Title of ebook: Intro Simulation Molecular Sys 2ed
ISBN: 9780511346279
Publisher: Cambridge University Press
Internet download file size: 2584 kb
Pages: 344
Released online for download: 07-31-2007
Author of eBook: Field,Martin J.